N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine

C11H13N3S — CID 115628477

IUPACN-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine
SMILESC/C=C/CCNc1ncnc2sccc12
InChIInChI=1S/C11H13N3S/c1-2-3-4-6-12-10-9-5-7-15-11(9)14-8-13-10/h2-3,5,7-8H,4,6H2,1H3,(H,12,13,14)/b3-2+
InChIKeyBJROYIQALZFMMJ-NSCUHMNNSA-N
MW219.31 g/mol
LogP3.07
Rot. Bonds4

About N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine

N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 115628477) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID115628477
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC NameN-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine
SMILESC/C=C/CCNc1ncnc2sccc12
InChIInChI=1S/C11H13N3S/c1-2-3-4-6-12-10-9-5-7-15-11(9)14-8-13-10/h2-3,5,7-8H,4,6H2,1H3,(H,12,13,14)/b3-2+
InChIKeyBJROYIQALZFMMJ-NSCUHMNNSA-N
XLogP3.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-pent-3-enyl]thieno[3,2-c]pyridin-4-amine
CID 115628494
N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride
CID 122163962
N-octylthieno[2,3-d]pyrimidin-4-amine
CID 13038312
N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663560
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283
3-(thieno[2,3-d]pyrimidin-4-ylamino)propanenitrile
CID 9107580
N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 115637407
N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 60702109
4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol
CID 47060280
2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl carbamate
CID 83204037
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 133347637
N-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 62402452

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine (CID 115628477) is N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine is C/C=C/CCNc1ncnc2sccc12.
What is the InChIKey of N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BJROYIQALZFMMJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H13N3S/c1-2-3-4-6-12-10-9-5-7-15-11(9)14-8-13-10/h2-3,5,7-8H,4,6H2,1H3,(H,12,13,14)/b3-2+.
What are the key properties of N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 219.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 115628477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).